methyl 2-[[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carbonyl]amino]benzoate CAS Name: 2-[[[1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carbonyl]amino]benzoate Traditional Name: 2-[[1-(6-ethoxy-1,3-benzothiazol-2-yl)nipecotoyl]amino]benzoic acid methyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N3CCCC(C3)C(=O)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N3CCCC(C3)C(=O)NC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C23H25N3O4S/c1-3-30-16-10-11-19-20(13-16)31-23(25-19)26-12-6-7-15(14-26)21(27)24-18-9-5-4-8-17(18)22(28)29-2/h4-5,8-11,13,15H,3,6-7,12,14H2,1-2H3,(H,24,27)